2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane

C195H396 — CID 160564214

IUPAC2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane
SMILESCC/C=C/C/C=C/C/C=C/CCCCCCCC(C)(C)C.CCCC/C=C/CCCCCCCC(C)(C)C.CCCCC/C=C/C/C=C/CCCCCCCC(C)(C)C.CCCCCC/C=C/CCCCCCCC(C)(C)C.CCCCCCCC(C)(C)C.CCCCCCCC/C=C/CCCCCCCC(C)(C)C.CCCCCCCCCC(C)(C)C.CCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C21H44.C21H42.C21H40.C21H38.C19H40.C19H38.C17H36.C17H34.C15H32.C13H28.C11H24/c4*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11(2,3)4/h5-20H2,1-4H3;12-13H,5-11,14-20H2,1-4H3;9-10,12-13H,5-8,11,14-20H2,1-4H3;6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3;5-18H2,1-4H3;10-11H,5-9,12-18H2,1-4H3;5-16H2,1-4H3;8-9H,5-7,10-16H2,1-4H3;5-14H2,1-4H3;5-12H2,1-4H3;5-10H2,1-4H3/b;13-12+;10-9+,13-12+;7-6+,10-9+,13-12+;;11-10+;;9-8+;;;
InChIKeyQZSCUFDCZYVWKB-ZSUTXVJWSA-N
MW2741.31 g/mol
LogP75.40
Rot. Bonds121

About 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane

2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane (PubChem CID 160564214) has the molecular formula C195H396 and a molecular weight of 2741.31 g/mol. Its IUPAC name is 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane.

Molecular Properties

Compound Name2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane
PubChem CID160564214
Molecular FormulaC195H396
Molecular Weight2741.31 g/mol
Exact Mass2739.10
IUPAC Name2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane
SMILESCC/C=C/C/C=C/C/C=C/CCCCCCCC(C)(C)C.CCCC/C=C/CCCCCCCC(C)(C)C.CCCCC/C=C/C/C=C/CCCCCCCC(C)(C)C.CCCCCC/C=C/CCCCCCCC(C)(C)C.CCCCCCCC(C)(C)C.CCCCCCCC/C=C/CCCCCCCC(C)(C)C.CCCCCCCCCC(C)(C)C.CCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCCCCCC(C)(C)C
InChIInChI=1S/C21H44.C21H42.C21H40.C21H38.C19H40.C19H38.C17H36.C17H34.C15H32.C13H28.C11H24/c4*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11(2,3)4/h5-20H2,1-4H3;12-13H,5-11,14-20H2,1-4H3;9-10,12-13H,5-8,11,14-20H2,1-4H3;6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3;5-18H2,1-4H3;10-11H,5-9,12-18H2,1-4H3;5-16H2,1-4H3;8-9H,5-7,10-16H2,1-4H3;5-14H2,1-4H3;5-12H2,1-4H3;5-10H2,1-4H3/b;13-12+;10-9+,13-12+;7-6+,10-9+,13-12+;;11-10+;;9-8+;;;
InChIKeyQZSCUFDCZYVWKB-ZSUTXVJWSA-N
XLogP75.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds121
Heavy Atoms195
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002741.31
LogP ≤ 575.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane with MolForge

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Related Compounds

(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
CID 140816107
(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
(3Z,6Z,9Z,12Z,15Z,18Z)-23,23-dimethyltetracosa-3,6,9,12,15,18-hexaene
CID 140672812
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
heptadeca-3,6,12-triene
CID 54220025
(Z)-2,2-dimethyldodec-5-ene
CID 153455160
(E)-10,10-dimethylundec-5-ene
CID 142794628
octacos-3-ene
CID 54171253
(E)-nonacos-3-ene
CID 22172230

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane?
The IUPAC name of 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane (CID 160564214) is 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane.
What is the SMILES notation for 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane?
The canonical SMILES for 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane is CC/C=C/C/C=C/C/C=C/CCCCCCCC(C)(C)C.CCCC/C=C/CCCCCCCC(C)(C)C.CCCCC/C=C/C/C=C/CCCCCCCC(C)(C)C.CCCCCC/C=C/CCCCCCCC(C)(C)C.CCCCCCCC(C)(C)C.CCCCCCCC/C=C/CCCCCCCC(C)(C)C.CCCCCCCCCC(C)(C)C.CCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCCCC(C)(C)C.CCCCCCCCCCCCCCCCCC(C)(C)C.
What is the InChIKey of 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane?
The InChIKey is QZSCUFDCZYVWKB-ZSUTXVJWSA-N. The full InChI is InChI=1S/C21H44.C21H42.C21H40.C21H38.C19H40.C19H38.C17H36.C17H34.C15H32.C13H28.C11H24/c4*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)4;2*1-5-6-7-8-9-10-11-12-13-14-15-16-17(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15(2,3)4;1-5-6-7-8-9-10-11-12-13(2,3)4;1-5-6-7-8-9-10-11(2,3)4/h5-20H2,1-4H3;12-13H,5-11,14-20H2,1-4H3;9-10,12-13H,5-8,11,14-20H2,1-4H3;6-7,9-10,12-13H,5,8,11,14-20H2,1-4H3;5-18H2,1-4H3;10-11H,5-9,12-18H2,1-4H3;5-16H2,1-4H3;8-9H,5-7,10-16H2,1-4H3;5-14H2,1-4H3;5-12H2,1-4H3;5-10H2,1-4H3/b;13-12+;10-9+,13-12+;7-6+,10-9+,13-12+;;11-10+;;9-8+;;;.
What are the key properties of 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane?
2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane has a molecular weight of 2741.31 g/mol, XLogP of 75.40, 121 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane is sourced from PubChem (CID 160564214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).